SCHEMBL4633796

SCHEMBL4633796

CCON(c1ccc(Cl)c(Cl)c1)[C@@H](CC(C)C)C(=O)OP(=O)(O)Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CETP P11597 2/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20162502 0.88 LMNA (0.34) HPGDNOS3NOS1NOS2SLC6A2
SCHEMBL4268833 0.85 POLB (0.33) SLC6A2SLC6A4SLC6A3MAPTPOLB
SCHEMBL20162540 0.83 ALOX15 (0.38) HPGDLMNAMAPTPOLBMAPK1
SCHEMBL20856237 0.73 HSD17B10 (0.40)
SCHEMBL20162507 0.73 PPARG (0.38) HPGDSLC6A3MAPTPOLB
SCHEMBL4635211 0.73 PPARG (0.38) HPGDSLC6A3MAPTPOLB
SCHEMBL10004996 0.71 TAS1R3 (0.39) SLC6A2SLC6A4SLC6A3LMNAMAPT
SCHEMBL10003812 0.71 CTSS (0.39) LMNAPOLBTSHRSMN1; SMN2
SCHEMBL20856173 0.69 SMN1; SMN2 (0.38) LMNAMAPTPOLBHTTTSHR
SCHEMBL7795340 0.69 SMN1; SMN2 (0.38) LMNAMAPTPOLBHTTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
EP-1928475-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4'-SUBSTITUTED PRONUCLEOTIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-11 EP disclosed
WO-2007020193-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4 ' -SUBSTITUTED PRONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed